3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-(4-methoxyphenyl)-1,2,4-triazine IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-(4-methoxyphenyl)-1,2,4-triazine Traditional Name: 5-(4-methoxyphenyl)-3-(4-piperonylpiperazin-4-ium-1-yl)-1,2,4-triazine Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=NC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=NC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N5O3/c1-28-18-5-3-17(4-6-18)19-13-23-25-22(24-19)27-10-8-26(9-11-27)14-16-2-7-20-21(12-16)30-15-29-20/h2-7,12-13H,8-11,14-15H2,1H3/p+1